Quick start

Examples of DynamicEntropySearch can be found in Dynamic Entropy Search Github Repository.

from ms_entropy import DynamicEntropySearch

# Step 1: Construct the DynamicEntropySearch class.
entropy_search = DynamicEntropySearch(path_data=path_of_your_library)

# Step 2: Construct or update the index from the library spectra.
entropy_search.add_new_spectra(spectra_list=spectra_1_for_library)
entropy_search.add_new_spectra(spectra_list=spectra_2_for_library)
......

# Step 3: Call build_index() and write() lastly to end adding operation.
entropy_search.build_index()
entropy_search.write()

# Step 4: Perform search.
entropy_similarity=entropy_search.search(
    precursor_mz=query_spectrum_precursor_mz,
    peaks=query_spectrum_peaks)